N-(4-pyridyl)-β-(3-N-methylpyridyl)acrylamide hexafluorophosphate | 85649-73-6

• 英文名称: N-(4-pyridyl)-β-(3-N-methylpyridyl)acrylamide hexafluorophosphate
• 英文别名: N-(4-pyridyl)-β-(1-methylpyridinium-3-yl)acrylamide hexafluorophosphate
• CAS: 85649-73-6
• 化学式: C₁₄H₁₄N₃O*F₆P
• 分子量: 385.249
• InChiKey: DUXMPELOXTVVLW-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 N-(4-pyridyl)-β-(3-N-methylpyridyl)acrylamide hexafluorophosphate 、 trans-[RuCl(2,2'-bipyridyl)2(10-(4-picolyl)phenothiazine)]CF3SO3 * H2O 在 AgCF₃CO₂ 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 以91%的产率得到trans-[Ru(2,2'-bipyridyl)2(10-(4-picolyl)phenothiazine)(N-(4-pyridyl)-β-(1-methylpyridinium-3-yl)acrylamide)](PF6)3 * H2O
  参考文献：
  名称：

  trans-Chromophore−Quencher Complexes Based on Ruthenium(II)

  摘要：

  A series of chromophore-quencher complexes, trans-[Ru(bpy)(2)(py(a))(py(b))](n+) (bpy = 2,2'-bipyridyl; py(a), py(b) = substituted pyridyl ligands; n = 2-4) have been prepared and characterized. These contain combinations of the electron donor PTZ in py-PTZ (py-PTZ = 10-(4-picolyl)phenothiazine) and the electron accepters MQ(+) (1-methyl-4,4'-bipyridinium cation), py-AQ (4-((((9,10-anthraquinon-2-yl)carbonyl)amino)methyl)pyridine), and py-MPAA (N-(4-pyridyl)-beta-(1-methylpyridinium-3-yl)acrylamide cation), and 4-ethylpyridine (4-Etpy). The asymmetrical complexes (py(a) not equal py(b)) are synthesized by using the precursor trans-[Ru(bpy)(2)(DMSO)(2)](CF3SO3)(2) . 0.5H(2)O, which is converted into trans-[Ru(bpy)(2)(py-PTZ)(DMSO)](CF3SO3)(2) . 0.5H(2)O (1) by reaction with py-PTZ in DMSO/acetone at room temperature. 1 is treated with LiCl in aqueous DMF at 105 degrees C to prepare trans-[RuCl(bpy)(2)(py-PTZ)]CF3SO3 . H2O (2). 2 is converted into the derivatives trans-[Ru(bpy)(2)(py-PTZ)(4-Etpy)](PF6)(2) . 0.5H(2)O (5), trans-[Ru(bpy)(2)(py-PTZ)(MQ(+))](PF6)(3) (7), trans-[Ru(bpy)(2)(py-PTZ)(py-AQ)](PF6)(2) . H2O (9), and trans-[Ru(bpy)(2)(py-PTZ)(py-MPAA)](PF6)(3) . H2O (11) by chloride abstraction at room temperature in the presence of 4-Etpy, [MQ](PF6), py-AQ, and [py-MPAA](PF6), respectively. The salts trans-[Ru(bpy)(2)(4-Etpy)(MQ(+))](PF6)(3) . H2O (6), trans-[Ru(bpy)(2)(4-Etpy)(py-AQ)](PF6)(2) (8), and trans-[Ru(bpy)(2)(4-Etpy)(py-MPAA)](PF6), (10) are synthesized by chloride abstraction from trans-[RuCl(bpy)(2)(4-Etpy)]PF6 . H2O in the presence of [MQ](PF6)(3) py-AQ, or [py-MPAA](PF6). The symmetrical complexes trans-[Ru(bpy)(2)(MQ(+))(2)](PF6)(4) . 3H(2)O (3) and trans-[Ru(bpy)(2)(py-PTZ)(2)](PF6)(2) . H2O (4) are synthesized by reaction of trans-[Ru(bpy)(2)(H2O)(2)](CF3SO3)(2) with an excess of the appropriate ligand in DMF at 100 degrees C. Visible light irradiation of these complexes at room temperature leads to photochemical decomposition. At lower temperatures (<200 K), emission typical of Ru-III-bpy(.-) (and Ru-III-MQ(.)) MLCT states is observed. The appearance of a thermally activated decay pathway above 150 K signals the presence of a crossing to a photochemically reactive ligand-field state. As a result, significant formation of redox-separated states by electron transfer is not observed for the redox triads trans-[Ru(bpy)(2)(py-PTZ)(X)](n+) (X = py-AQ, n = 2; X = py-MPAA or MQ(+), II = 3). Nonetheless, the results obtained have important implications for the stereochemical design of Ru(II)-based chromophore-quencher complexes.

  DOI：

  10.1021/ic9515463

文献信息

• Calvert, Jeffrey M.; Schmehl, Russell H.; Patrick Sullivan, Inorganic Chemistry, 1983, vol. 22, # 15, p. 2151 - 2162
  作者：Calvert, Jeffrey M.、Schmehl, Russell H.、Patrick Sullivan、Facci, John S.、Meyer, Thomas J.、Murray, Royce W.

  DOI：——

  日期：——
• Katz, Néstor E.; Mecklenburg, Sandra L.; Meyer, Thomas J., Inorganic Chemistry, 1995, vol. 34, # 5, p. 1282 - 1284
  作者：Katz, Néstor E.、Mecklenburg, Sandra L.、Meyer, Thomas J.

  DOI：——

  日期：——